Data quality metrics extracted from 1ajq.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "643f0e04b81d88eefdcf4b2b1a600554",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.12,
    "b": 65.08,
    "c": 76.30,
    "alpha": 100.20,
    "beta": 111.44,
    "gamma": 105.81
  },
  "wavelengths": [0.99000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.85,2.03],
    "number_observations_unique": 48998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0720000
      },
      {
        "type": "I/SigI",
        "value": 36.4
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  }
}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):